The Journal of Chemical Physics · 1965 · 103 citations · 4 references
Natural SciencesChemistryPhysicsCondensed Matter PhysicsMolecular PhysicsQuantum ChemistryElectron CorrelationMagnetic AnisotropyMagnetic CharacterizationMagnetic Properties Of SolidsMagnetic SusceptibilityMolecular Orbital TheoryAnisotropic Magnetic SusceptibilityAnisotropy ConstantAnisotropy Of Magnetic SusceptibilityAromatic Electronic EffectsAromatic HydrocarbonsChemical Shift AnalysisElectronic Distribution SystemsPolycyclic Aromatic Hydrocarbons
It is shown that the anisotropic magnetic susceptibility (and chemical shift) of aromatic hydrocarbons generally attributed to π-electron ``ring currents'' can be correctly represented as the sum of contributions from localized electrons of both π and σ character. The ``delocalization'' of the electronic distribution plays no part whatever is the effect and is only an artifact of London's approximate calculation. Anisotropic Pascal's constants for aromatic carbon atoms are determined empirically and excellent agreement with the experimental anisotropic susceptibilities is obtained.
4
The Diamagnetic Anisotropy of Aromatic Molecules
Linus Pauling · The Journal of Chemical Physics · 1936 · 733 citations
Natural Sciences, Chemistry, Physics +11
Molecular orbital theory of aromatic ring currents
John A. Pople · Molecular Physics · 1958 · 259 citations
Natural Sciences, Chemistry, Physics +15